2-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethoxy]ethanol

C14H29NO3 — CID 64850385

IUPAC2-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethoxy]ethanol
SMILESCC(C)COC1CC(NCCOCCO)C1(C)C
InChIInChI=1S/C14H29NO3/c1-11(2)10-18-13-9-12(14(13,3)4)15-5-7-17-8-6-16/h11-13,15-16H,5-10H2,1-4H3
InChIKeyQKLFYWWAQWKWPX-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.42
Rot. Bonds9

About 2-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethoxy]ethanol

2-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethoxy]ethanol (PubChem CID 64850385) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethoxy]ethanol
PubChem CID64850385
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name2-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethoxy]ethanol
SMILESCC(C)COC1CC(NCCOCCO)C1(C)C
InChIInChI=1S/C14H29NO3/c1-11(2)10-18-13-9-12(14(13,3)4)15-5-7-17-8-6-16/h11-13,15-16H,5-10H2,1-4H3
InChIKeyQKLFYWWAQWKWPX-UHFFFAOYSA-N
XLogP1.42
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethoxy]ethanol (CID 64850385) is 2-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethoxy]ethanol is CC(C)COC1CC(NCCOCCO)C1(C)C.
What is the InChIKey of 2-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethoxy]ethanol?
The InChIKey is QKLFYWWAQWKWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-11(2)10-18-13-9-12(14(13,3)4)15-5-7-17-8-6-16/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 2-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethoxy]ethanol?
2-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethoxy]ethanol has a molecular weight of 259.39 g/mol, XLogP of 1.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethoxy]ethanol is sourced from PubChem (CID 64850385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).